C445-0120 Screening compound: 2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide

C445-0120 Screening compound: 2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide
C445-0120 Screening compound: 2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C445-0120
2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C445-0120

Molecular Formula

C27H25N5O4S (C27 H25 N5 O4 S)

Compound Name

2-({8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide

IUPAC name

2-({89-dimethoxy-2-phenyl-[124]triazolo[15-c]quinazolin-5-yl}sulfanyl)-N-(2-ethoxyphenyl)acetamide

SMILES

CCOc(cccc1)c1NC(CSc1nc(cc(c(OC)c2)OC)c2c2nc(-c3ccccc3)nn12)=O

InChI

InChI=1S/C27H25N5O4S/c1-4-36-21-13-9-8-12-19(21)28-24(33)16-37-27-29-20-15-23(35-3)22(34-2)14-18(20)26-30-25(31-32(26)27)17-10-6-5-7-11-17/h5-15H,4,16H2,1-3H3,(H,28,33)

InChI Key

YPIAKEPWROZKPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.894

Distribution Coefficient, logD

4.888

Water Solubility, LogSw

-4.62

Polar Surface Area

74.720

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C445-0120 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

Human Receptors Annotated Library (5376 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C445-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C445-0120?
Check Price and Availability of C445-0120, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C445-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C445-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C445-0120
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C445-0120 available by request